Basic information
- CAS
103831-11-4- Standard SMILES
Cl.Cl.NC1CCNC1- InChIKey
NJPNCMOUEXEGBL-UHFFFAOYSA-N- Molecular formula
- C4H12Cl2N2
- Average molar mass
- 159.05 g/mol
- Monoisotopic mass
- 158.0377538
Names & identifiers
- Preferred name
- 3-Aminopyrrolidine dihydrochloride
- IUPAC
- pyrrolidin-3-amine;dihydrochloride
- English name
- 3-Aminopyrrolidine dihydrochloride
- Molecular formula
- C4H11ClN2
- Molecular weight
- 122.6
Names & synonyms
3-Aminopyrrolidine dihydrochlorideRefChem:497802600-494-3103831-11-4pyrrolidin-3-amine dihydrochloridepyrrolidin-3-amine;dihydrochlorideMFCD00060176(R)-(-)-3-Aminopyrrolidine dihydrochloridepyrrolidin-3-aminedihydrochlorideAKOS0158448253-Pyrrolidinamine, dihydrochloridepyrrolidin-3-amine 2HCl
Show more names
3APR 2HCLTIMTEC-BB SBB0039823-AminopyrrolidineDiHClTosufloxacin impurity 73-Amino pyrrolidine 2HClH-aminopyrrolide Dihydrochoride3-Pyrrolidinamine Hydrochloride
4-NITROPHENOLSODIUMSALT3-pyrrolidinamine dihydrochloride3-Aminopyrrolidine 2HCl3-Aminopyurrolidine 2HClFT-0604720FT-0604730SCHEMBL555933Tosufloxacin Impurity 1 DiHCl
Database identifiers
- CAS
103831-11-4- PubChem CID
- 16212596
- DTXSID
DTXSID00583661- EC Number
- 600-494-3
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 44
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 262.01 °C · 262.01°C (rough estimate)
- Density
- 1.3011 · 1.3011 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- almost transparency
- Sensitive
- Hygroscopic
- BRN
- 5852700 · 5852700
- InChI
- 1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H
- InChIKey
- NJPNCMOUEXEGBL-UHFFFAOYSA-N
- SMILES
- Cl[H].Cl[H].NC1CCNC1
- CAS DataBase Reference
- 103831 · 103831-11-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Applications
Uses3-Aminopyrrolidine dihydrochloride is the suitable reagent used as an internal standard for the quantitative analysis of amino acids in bio-fluids. (R,S) 3-Aminopyrrolidine dihydrochloride may be used in the preparation of cis-[PdCl2(pyrr)] and cis-[PtCl2(pyrr)] (pyrr= (R,S)-3-aminopyrrolidine) complexes.
General Description3-Aminopyrrolidine dihydrochloride (3-pyrrolidinamine dihydrochloride) is one of the key intermediate of tosufloxacin and other quinolone antibiotics.
Upstream & downstream products
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
16 records
Compound notes
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